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DocumentationIdentifier: MM54411
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM54411 |
| SMILES |
N#CCOC(C#N)C#N
|
| InChIKey |
XQZBYBCMSJSHGH-UHFFFAOYSA-N
|
| MW [Da] |
121.1
Automatically obtained from RDkit software. |
| LogP |
-0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM15826
Similarity: 0.9444
Similarity to MM15826
| Tanimoto metric | 0.9444 |
|---|---|
| Cosine metric | 0.9718 |
| Dice metric | 0.9714 |
| MW: | 135.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
2-ethoxypropanedinitrile
Similarity: 0.8824
Similarity to 2-ethoxypropanedinitrile
| Tanimoto metric | 0.8824 |
|---|---|
| Cosine metric | 0.9393 |
| Dice metric | 0.9375 |
| MW: | 110.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM02592
Similarity: 0.8704
Similarity to MM02592
| Tanimoto metric | 0.8704 |
|---|---|
| Cosine metric | 0.9307 |
| Dice metric | 0.9307 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+61 more
